SCHEMBL1725124

SCHEMBL1725124

Cc1cc(C2CC2)ccc1C(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
NOTUM Q6P988 1/20 0.38
SMURF2 Q9HAU4 1/20 0.38
SMURF1 Q9HCE7 1/20 0.38
QDPR P09417 1/20 0.37
DHODH Q02127 2/20 0.36
CYP2C9 P11712 1/20 0.36
ACLY P53396 1/20 0.36
SSTR4 P31391 1/20 0.36
NPC1 O15118 1/20 0.35
ESR2 Q92731 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
DRD2 P14416 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1725857 0.84 ACMSD (0.53) ACMSDNOTUMSMURF2SMURF1DHODH
SCHEMBL26019652 0.83 SSTR4 (0.39) ACMSDNOTUMSMURF2SMURF1QDPR
SCHEMBL1726032 0.79 KDM4E (0.46) SSTR4MAPTALDH1A1LMNA
SCHEMBL31091210 0.78 PDE4B (0.49) QDPRALDH1A1
SCHEMBL13544502 0.77 ACMSD (0.63) ACMSDNOTUMDHODHHDAC8HDAC6
SCHEMBL20503247 0.77 ACMSD (0.58) ACMSDNOTUMDHODHHDAC8HDAC6
SCHEMBL5251234 0.76 ACMSD (0.64) ACMSDNOTUMDHODHHDAC8HDAC6
SCHEMBL20503312 0.76 ACMSD (0.64) ACMSDNOTUMDHODHHDAC8HDAC6
SCHEMBL29459721 0.75 ALDH1A1 (0.46) ACMSDDHODHACLYALDH1A1LMNA
SCHEMBL1779047 0.74 KDM4E (0.42) QDPRSSTR4NPC1ESR2MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
EP-2403846-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2016-11-02 EP disclosed
CN-105001206-A Inhibitors of Bruton's Tyrosine Kinase HOFFMANN LA ROCHE 2015-10-28 CN disclosed
CN-102341383-B Inhibitors of bruton's tyrosine kinase HOFFMAN-LA ROCHE LTD. (CH) 2015-09-16 CN disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
US-8299077-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2012-10-30 US disclosed
CN-102341383-A Inhibitors of Bruton's Tyrosine Kinase HOFFMANN LA ROCHE 2012-02-01 CN disclosed
EP-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN 2010-09-02 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-7683064-B2 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC (US) 2010-03-23 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase ROCHE PALO ALTO LLC 2009-12-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100222325-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN ACMSD 4424/4885NOTUM 4122/4885SMURF2 4105/4885
US-20090306041-A1 Inhibitors of Bruton's tyrosine kinase BTK, SYK, LYN ACMSD 4437/4885NOTUM 4169/4885SMURF2 4596/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.